CHEBI:128464 - 1-[(8R,9R,10R)-10-(hydroxymethyl)-9-[4-(4-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-pyridin-4-ylethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(8R,9R,10R)-10-(hydroxymethyl)-9-[4-(4-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-pyridin-4-ylethanone
ChEBI ID CHEBI:128464
Stars This entity has been manually annotated by a third party.
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Formula C29H33N3O3
Net Charge 0
Average Mass 471.592
Monoisotopic Mass 471.25219
InChI InChI=1S/C29H33N3O3/c1-35-25-10-8-23(9-11-25)22-4-6-24(7-5-22)29-26-19-31(16-2-3-17-32(26)27(29)20-33)28(34)18-21-12-14-30-15-13-21/h4-15,26-27,29,33H,2-3,16-20H2,1H3/t26-,27-,29+/m0/s1
InChIKey GNCMCFQFNIRUHR-HPUNYJORSA-N
SMILES COC1=CC=C(C=C1)C2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CCCCN4[C@H]3CO)C(=O)CC5=CC=NC=C5
ChEBI Ontology
Outgoing 1-[(8R,9R,10R)-10-(hydroxymethyl)-9-[4-(4-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-pyridin-4-ylethanone (CHEBI:128464) is a biphenyls (CHEBI:22888)
Manual Xref Database
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